SCHEMBL22033976

SCHEMBL22033976

CCC(=O)OC[C@H]1O[C@@H](OC(=O)/C=C/C(=O)O[C@@H]2O[C@H](COC(=O)CC)[C@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]2OC(=O)CC)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H]1OC(=O)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ CA2 P00918 6/20 0.39
▸ CA1 P00915 5/20 0.39
▸ CA12 O43570 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ CA14 Q9ULX7 4/20 0.39
▸ ANTXR2 P58335 3/20 0.38
▸ PTPN1 P18031 1/20 0.36
▸ FYN P06241 2/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ TMPRSS2 O15393 1/20 0.36
▸ USP2 O75604 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22033947 1.00 CYP2D6 (0.42) CYP2D6THRBHSD17B10MAPTCA2
SCHEMBL22033952 1.00 CYP2D6 (0.42) CYP2D6THRBHSD17B10MAPTCA2
SCHEMBL22033879 1.00 CYP2D6 (0.42) CYP2D6THRBHSD17B10MAPTCA2
SCHEMBL22033880 0.95 CYP2D6 (0.39) CYP2D6THRBHSD17B10MAPTCA2
SCHEMBL23871867 0.95 CYP2D6 (0.39) CYP2D6THRBHSD17B10MAPTCA2
SCHEMBL23871835 0.95 CYP2D6 (0.39) CYP2D6THRBHSD17B10MAPTCA2
SCHEMBL22033978 0.95 CYP2D6 (0.39) CYP2D6THRBHSD17B10MAPTCA2
SCHEMBL23871853 0.95 CYP2D6 (0.39) CYP2D6THRBHSD17B10MAPTCA2
SCHEMBL22033953 0.95 CYP2D6 (0.39) CYP2D6THRBHSD17B10MAPTCA2
SCHEMBL22033950 0.95 CYP2D6 (0.39) CYP2D6THRBHSD17B10MAPTCA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3890721-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE Flagship Pioneering Innovations V, Inc. (US) 2021-10-13 — — EP disclosed
CN-113490489-A Monomethyl fumarate-carrier conjugates and methods of use thereof 旗舰创业创新五公司 2021-10-08 — — CN disclosed
US-20210299079-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2021-09-30 — — US disclosed
WO-2020118178-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-06-11 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210299079-A1 MONOMETHYL FUMARATE-CARRIER CONJUGATES AND METHODS OF THEIR USE SLC16A1, SLC16A3, SLC16A8 CYP2D6 650/4885THRB 3830/4885HSD17B10 115/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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